3-propylquinolin-2-amine

• ChemBase ID: 816082
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1cc2c(cc1)cc(c(n2)N)CCC
• Canonical SMILES: CCCc1cc2ccccc2nc1N
• InChI: InChI=1S/C12H14N2/c1-2-5-10-8-9-6-3-4-7-11(9)14-12(10)13/h3-4,6-8H,2,5H2,1H3,(H2,13,14)
• InChIKey: WHBBYHIZFBJNMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-propylquinolin-2-amine
• IUPAC Traditional name: 3-propylquinolin-2-amine
• Synonyms: 2-AMINO-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3262484
• LogD (pH = 7.4): 3.2497754
• Log P: 3.2989907
• Molar Refractivity: 59.2364 cm^3
• Polarizability: 23.615805 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%